[2,2-dimethyl-6-[(2-methyl-3-oxidanyl-phenyl)carbonylamino]-1,3-dioxepan-5-yl] methanesulfonate

Systemtic Name: [2,2-dimethyl-6-[(2-methyl-3-oxidanyl-phenyl)carbonylamino]-1,3-dioxepan-5-yl] methanesulfonate Openeye Name: [6-[(3-hydroxy-2-methyl-benzoyl)amino]-2,2-dimethyl-1,3-dioxepan-5-yl] methanesulfonate CAS Name: methanesulfonic acid [6-[[(3-hydroxy-2-methylphenyl)-oxomethyl]amino]-2,2-dimethyl-1,3-dioxepan-5-yl] ester IUPAC Name: [6-[(3-hydroxy-2-methylbenzoyl)amino]-2,2-dimethyl-1,3-dioxepan-5-yl] methanesulfonate Traditional Name: methanesulfonic acid [6-[(3-hydroxy-2-methyl-benzoyl)amino]-2,2-dimethyl-1,3-dioxepan-5-yl] ester Formula: C16H23NO7S MolecularWeight: 373.42132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1O)C(=O)NC2COC(OCC2OS(=O)(=O)C)(C)C

Isomeric SMILES

CC1=C(C=CC=C1O)C(=O)NC2COC(OCC2OS(=O)(=O)C)(C)C

InChI

InChI=1S/C16H23NO7S/c1-10-11(6-5-7-13(10)18)15(19)17-12-8-22-16(2,3)23-9-14(12)24-25(4,20)21/h5-7,12,14,18H,8-9H2,1-4H3,(H,17,19)